SCHEMBL7183993

SCHEMBL7183993

O=C(O)C=Cc1ccc(Oc2c(-c3ccccc3)ccc3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.59
ESR2 Q92731 12/20 0.59
SRD5A2 P31213 1/20 0.51
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7183989 1.00 ESR1 (0.59) ESR1ESR2SRD5A2CYP1A1CYP1B1
SCHEMBL7182549 0.93 ESR1 (0.60) ESR1ESR2
SCHEMBL7182543 0.93 ESR1 (0.60) ESR1ESR2
SCHEMBL7186129 0.92 ESR1 (0.61) ESR1ESR2SRD5A2CYP1A1CYP1B1
SCHEMBL7186132 0.92 ESR1 (0.61) ESR1ESR2SRD5A2CYP1A1CYP1B1
SCHEMBL7190627 0.92 ESR1 (0.52) ESR1ESR2SRD5A2CYP1A1CYP1B1
SCHEMBL7190635 0.92 ESR1 (0.52) ESR1ESR2SRD5A2CYP1A1CYP1B1
SCHEMBL7189360 0.90 ESR1 (0.57) ESR1ESR2
SCHEMBL7189357 0.90 ESR1 (0.57) ESR1ESR2
SCHEMBL7195203 0.88 ESR1 (0.58) ESR1ESR2CYP1A1CYP1B1THRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835867-B1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2003-12-03 EP claimed
US-5916916-A USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. ELI LILLY AND COMPANY (US) 1999-06-29 US claimed
EP-0835867-A1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-15 EP claimed
EP-0835867-B1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2003-12-03 EP disclosed
US-5916916-A USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. ELI LILLY AND COMPANY (US) 1999-06-29 US disclosed
EP-0835867-A1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed